adamantane; O4-azanyl O1-[2-(2-cyanopyrrolidin-1-yl)ethanoyl] (E)-but-2-enedioate

Systemtic Name: adamantane; O4-azanyl O1-[2-(2-cyanopyrrolidin-1-yl)ethanoyl] (E)-but-2-enedioate Openeye Name: adamantane; O4-amino O1-[2-(2-cyanopyrrolidin-1-yl)acetyl] (E)-but-2-enedioate CAS Name: adamantane; (E)-2-butenedioic acid O4-amino ester O1-[2-(2-cyano-1-pyrrolidinyl)-1-oxoethyl] ester IUPAC Name: adamantane; 4-O-amino 1-O-[2-(2-cyanopyrrolidin-1-yl)acetyl] (E)-but-2-enedioate Traditional Name: adamantane; (E)-but-2-enedioic acid O4-amino ester O1-[2-(2-cyanopyrrolidino)acetyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)OC(=O)C=CC(=O)ON)C#N.C1C2CC3CC1CC(C2)C3

Isomeric SMILES

C1CC(N(C1)CC(=O)OC(=O)/C=C/C(=O)ON)C#N.C1C2CC3CC1CC(C2)C3

InChI

InChI=1S/C11H13N3O5.C10H16/c12-6-8-2-1-5-14(8)7-11(17)18-9(15)3-4-10(16)19-13;1-7-2-9-4-8(1)5-10(3-7)6-9/h3-4,8H,1-2,5,7,13H2;7-10H,1-6H2/b4-3+;